CID 4429440

1187173-26-7

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC1=CC(=CC=C1)C2CCCCN2

InChI

InChI=1S/C12H17N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12/h4-6,9,12-13H,2-3,7-8H2,1H3

InChIKey

YKFXSWPGGIAPSM-UHFFFAOYSA-N

Compound name

2-(3-methylphenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 175.1361 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	176.143376	140.1
[M+Na]+	198.125318	145.1
[M-H]-	174.128824	143.2
[M+NH4]+	193.169923	158.0
[M+K]+	214.099258	141.2
[M+H-H2O]+	158.133360	132.8
[M+HCOO]-	220.134301	158.1
[M+CH3COO]-	234.149951	151.6
[M+Na-2H]-	196.110766	145.2
[M]+	175.13555142	133.2
[M]-	175.13664858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe